1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride

C11H18ClNO2 — CID 22669266

IUPAC1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cc(C(C)N)ccc1OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-14-11-7-9(8(2)12)5-6-10(11)13-3;/h5-8H,4,12H2,1-3H3;1H
InChIKeyMZTCREUWGSPJPK-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.54
Rot. Bonds4

About 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride

1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 22669266) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
PubChem CID22669266
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1cc(C(C)N)ccc1OC.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-4-14-11-7-9(8(2)12)5-6-10(11)13-3;/h5-8H,4,12H2,1-3H3;1H
InChIKeyMZTCREUWGSPJPK-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride (CID 22669266) is 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride is CCOc1cc(C(C)N)ccc1OC.Cl.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is MZTCREUWGSPJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-4-14-11-7-9(8(2)12)5-6-10(11)13-3;/h5-8H,4,12H2,1-3H3;1H.
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride?
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 22669266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).